Molecule

None

AlkaPlorer ID: AK323926

Synonym: None

IUPAC Name: 3-[(2E)-2-[[3-(2-carboxyethyl)-5-[(E)-(3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

Structure

SMILES: C/C=C1C(=C\C2=C(C)C(CCC(=O)O)=C(/C=C3/N=C(/C=C4/N=C(O)C(CC)=C4C)C(C)=C3CCC(=O)O)N2)/N=C(O)C/1C

InChI: InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7,13-15,19,35H,8-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7+,26-13+,27-14+,28-15+

InChIKey: INPDFIMLLXXDOQ-KJSSOSAUSA-N

Reference

Structure of phycoerythrobilin

LOTUS: LTS0090291

NPASS: NPC485671

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Spirulina sp.	Spirulina	Spirulinaceae	Spirulinales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 586.6890000000003

TPSA？: 167.92999999999998

MolLogP？: 6.791020000000005

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bos taurus	Catalase	Inhibition	nan	%	10.1021/acs.jnatprod.8b00610
Homo sapiens	Alpha-synuclein	Activity	nan	None	10.1021/acs.jnatprod.8b00610
Homo sapiens	Alpha-synuclein	Inhibition	50.0	%	10.1021/acs.jnatprod.8b00610
Homo sapiens	Alpha-synuclein	Inhibition	nan	%	10.1021/acs.jnatprod.8b00610
Homo sapiens	Alpha-synuclein	TIME	1.403e-06	hr	10.1021/acs.jnatprod.8b00610
Homo sapiens	Amyloid-beta A4 protein	Inhibition	nan	%	10.1021/acs.jnatprod.8b00610
Homo sapiens	HepG2	Activity	40.0	%	10.1021/acs.jmedchem.0c02026
Homo sapiens	HepG2	Activity	50.0	%	10.1021/acs.jmedchem.0c02026
Homo sapiens	LNCaP	Activity	65.0	%	10.1016/j.bmc.2019.115272
Homo sapiens	LNCaP	Activity	nan	None	10.1016/j.bmc.2019.115272
Homo sapiens	LNCaP	FC	0.009	None	10.1016/j.bmc.2019.115272
Homo sapiens	LNCaP	FC	0.45	None	10.1016/j.bmc.2019.115272
Homo sapiens	LNCaP	FC	0.47	None	10.1016/j.bmc.2019.115272
Homo sapiens	LNCaP	FC	0.56	None	10.1016/j.bmc.2019.115272
Homo sapiens	LNCaP	FC	1.2	None	10.1016/j.bmc.2019.115272
Homo sapiens	LNCaP	FC	1.67	None	10.1016/j.bmc.2019.115272
Homo sapiens	LNCaP	FC	1.76	None	10.1016/j.bmc.2019.115272
Homo sapiens	LNCaP	FC	2.23	None	10.1016/j.bmc.2019.115272
Homo sapiens	LNCaP	FC	2.33	None	10.1016/j.bmc.2019.115272
Homo sapiens	LNCaP	FC	2.72	None	10.1016/j.bmc.2019.115272
Homo sapiens	LNCaP	FC	3.84	None	10.1016/j.bmc.2019.115272
Homo sapiens	LNCaP	FC	5.34	None	10.1016/j.bmc.2019.115272
Homo sapiens	LNCaP	FC	6.01	None	10.1016/j.bmc.2019.115272
Homo sapiens	LNCaP	Ratio	1.5	None	10.1016/j.bmc.2019.115272
Homo sapiens	LNCaP	Ratio	3.5	None	10.1016/j.bmc.2019.115272
Homo sapiens	Tumor necrosis factor receptor superfamily member 6	Activity	nan	None	10.1016/j.bmc.2019.115272
None	ADMET	Drug uptake	nan	None	10.1016/j.bmc.2019.115272
None	No relevant target	Activity	nan	None	10.1021/acs.jnatprod.8b00610
None	Unchecked	Inhibition	nan	%	10.1021/acs.jnatprod.8b00610